(1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid

C10H17NO4 — CID 141154761

IUPAC(1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid
SMILESCCC(NC(=O)O)C(=O)OC1CCCC1
InChIInChI=1S/C10H17NO4/c1-2-8(11-10(13)14)9(12)15-7-5-3-4-6-7/h7-8,11H,2-6H2,1H3,(H,13,14)
InChIKeyICPYBHYHXGMPLN-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.52
Rot. Bonds4

About (1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid

(1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid (PubChem CID 141154761) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid
PubChem CID141154761
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid
SMILESCCC(NC(=O)O)C(=O)OC1CCCC1
InChIInChI=1S/C10H17NO4/c1-2-8(11-10(13)14)9(12)15-7-5-3-4-6-7/h7-8,11H,2-6H2,1H3,(H,13,14)
InChIKeyICPYBHYHXGMPLN-UHFFFAOYSA-N
XLogP1.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 159673903
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
cyclopentyl 2-aminobutanoate;molecular hydrogen
CID 143574438
cyclohexyl 2-[(1-methylpyridin-1-ium-3-carbonyl)amino]butanoate iodide
CID 22402671
cyclohexyl 2-(aminomethyl)butanoate
CID 65220233
cyclohexyl (2R)-2-(methylamino)-3-sulfanylpropanoate;hydrochloride
CID 87223141
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819
cyclobutyl 2,3-dimethylpentanoate
CID 174713613
5-cyclopentyloxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 68967684
cyclopentyl 3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 138108432
3-[(1-cyclohexyloxy-1-oxobutan-2-yl)-methylamino]propanoic acid
CID 82223993

Frequently Asked Questions

What is the IUPAC name of (1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid?
The IUPAC name of (1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid (CID 141154761) is (1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid.
What is the SMILES notation for (1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid?
The canonical SMILES for (1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid is CCC(NC(=O)O)C(=O)OC1CCCC1.
What is the InChIKey of (1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid?
The InChIKey is ICPYBHYHXGMPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-8(11-10(13)14)9(12)15-7-5-3-4-6-7/h7-8,11H,2-6H2,1H3,(H,13,14).
What are the key properties of (1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid?
(1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid has a molecular weight of 215.25 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopentyloxy-1-oxobutan-2-yl)carbamic acid is sourced from PubChem (CID 141154761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).